Drometrizole (HCID 17113)

名称と識別子

優先名称: Drometrizole
IUPAC: 2-(benzotriazol-2-yl)-4-methylphenol
現地名: ドロメトリゾール
英語名: Drometrizole
分子式: C13H11N3O
分子量: 225.25

名称と別名

Drometrizole2440-22-42-(2-HYDROXY-5-METHYLPHENYL)BENZOTRIAZOLE2-(2H-Benzotriazol-2-yl)-4-methylphenolDrometrizol2-(2'-Hydroxy-5'-methylphenyl)benzotriazoleDrometrizolumPhenol, 2-(2H-benzotriazol-2-yl)-4-methyl-DTXSID10274795X93W9OFZLNSC-91885DTXCID207479

名称をさらに表示

2-(2-ヒドロキシ-5-メチルフェニル)ベンゾトリアゾール2-(2-ヒドロキシ-5-メチルフェニル)-2H-ベンゾトリアゾール4-メチル-2-(2H-ベンゾトリアゾール-2-イル)フェノール2-(2H-ベンゾトリアゾール-2-イル)-4-メチルフェノールドロメトリゾール2-(5-メチル-2-ヒドロキシフェニル)-2H-ベンゾトリアゾールベナゾールPチヌビンPUVアブソーバー12-(2H-ベンゾトリアゾール-2-イル)-p-クレゾール2-(5-メチル-2-ヒドロキシフェニル)ベンゾトリアゾ-ル２（２’ヒドロキシ５’メチルフェニル）ベンゾトリアゾル2-(2'-ヒドロキシ-5'-メチルフェニル)ベンゾトリアゾール2-(2-ベンゾトリアゾリル)-p-クレゾール2-（2’-ヒドロキシ-5’-メチルフェニル）ベンゾトリアゾール2-(2-ベンゾトリアゾールイル)-P-クレゾールTINUVIN® PEDTINUVIN® PED (1000 ΜG/ML IN HEXANE)Tinuvin® PED , 1000 ug/mL in HexaneTinuvinR PEDUV-PUV-712-(2H-1,2,3-Benzotriazol-2-yl)-4-methylphenolBenazol IIRIASORB UV-P

219-470-5RefChem:590441607-063-9Benazol P2-(2H-Benzotriazol-2-yl)-p-cresolTinuvin P2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol2-(2-Benzotriazolyl)-p-cresol

データベース識別子

CAS: 2440-22-4
PubChem CID: 17113
DTXSID: DTXSID1027479
ChEMBL: CHEMBL1564747
ChEBI: CHEBI:134926
UNII: 5X93W9OFZL
EC Number: 219-470-5、607-063-9
Nikkaji: J7.899I

物性

構造計算による物性

XLogP: 4.3
極性表面積: 50.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 259

実験および物理化学的性質

Physical DescriptionDry Powder; Other Solid; Large Crystals

Collision Cross Section155.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1027479]

物理化学的性質

融点: 125.5 · 125.5-129.5 °C(lit.)
沸点: 10 · bp10 225°
比重(密度): 1.38 · 1.38
蒸気圧: 0 Pa · 0Pa at 20℃
屈折率: 1.56 · 1.5600 (estimate)
闪点: 54 °C · 54°C
貯蔵温度: 15 · 15-25°C
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 8.15 · 8.15±0.43(Predicted)
色: オフホワイトからペールイエロー
水溶解度: 173 μg/L · 173μg/L at 20℃
Merck: 14 · 14,3447
安定性: Hygroscopic
化粧品成分の機能: 紫外線吸収剤
InChI: 1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKey: MCPKSFINULVDNX-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(c1)-n2nc3ccccc3n2
LogP: 4.2 at · 4.2 at 25℃
CAS データベース: 2440 · 2440-22-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-(2440-22-4)
EPAの化学物質情報: 2 · 2-(2H-Benzotriazol-2-yl)-p-cresol (2440-22-4)

化学的性質

化学的特性Light yellow powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.8% (7 of 885) of reports.

Warning

H317 (97.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H410 (47%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H413 (46%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 885 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 7 of 885 reports by companies.；There are 18 notifications provided by 878 of 885 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-

Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300

Drometrizole: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenolic benzotriazoles: Environment tier II assessment

Hazard Classes and Categories · 2 件

Skin Sens. 1 (97.1%)；Aquatic Chronic 1 (47%)；Aquatic Chronic 4 (46%)

Skin sensitization - Category 1B；Specific target organ toxicity - Single exposure - Category 1 (respiratory organs)；Specific target organ toxicity - Repeated exposure - Category 2 (kidney)；Hazardous to the aquatic environment (Long-term) - Category 1

毒性情報

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

法規制情報

Regulatory Information · 4 件

Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-

Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300

Drometrizole: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 1
tsca: TSCA listed
rtecs: GO6860000
毒性: LD50 oral in mouse: 6500mg/kg
hs_code: 29339900
risk_code: 36/37/38-53-43
化審法: (5)-544
hazard_code: Xi
safety_code: 22-24/25-36/37
Hazard Classifications: Aquatic Chronic 1Skin Sens. 1B
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Uses · 2 件

CIR ingredient: Drometrizole

Plastics -> Typical concentration range in plastic materials -> 0.0015 - 0.5%

U.S. Production2023: 100,000 - <250,000 lb；2022: 700,000 - <850,000 lb；2021: 700,000 - <850,000 lb；2020: 550,000 - <700,000 lb

Consumer UsesOther；UV stabilizer；Antioxidant

Industry UsesUV stabilizer；Antioxidant

Household ProductsInformation on 1 consumer products that contain Drometrizole in the following categories is provided:；• Home Maintenance

Use Classification · 5 件

Fragrance Ingredients

Plastics -> Light stabilisers

Plastics -> Other functions -> Other stabiliser

Cosmetics -> Uv absorber

Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; (E)PS

応用分野

用途紫外線吸収剤、合成樹脂安定剤。

使用Drometrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.

上流・下流製品情報

下流製品

[(2-methyl-2-propenyl)oxy]phenyl]-2-(2H-ベンゾトリアゾール-2-イル)-4-メチル-6-(2-メチル-2-プロペン-1-イル)フェノール 1,2-フェニレンジアミン TIMTEC-BB SBB006355

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海创欣化学有限公司021-54253545

補足説明

定義本品は、次の化学式で表されるベンゾトリアゾールの誘導体である。

定義Drometrizole is a member of triazoles.

ドロメトリゾール

基本情報